3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid

C17H18O3 — CID 82826882

IUPAC3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
SMILESCc1ccc(COc2cccc(C(=O)O)c2C)cc1C
InChIInChI=1S/C17H18O3/c1-11-7-8-14(9-12(11)2)10-20-16-6-4-5-15(13(16)3)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeySCGBELPDNZCGRC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.89
Rot. Bonds4

About 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid

3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid (PubChem CID 82826882) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
PubChem CID82826882
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid
SMILESCc1ccc(COc2cccc(C(=O)O)c2C)cc1C
InChIInChI=1S/C17H18O3/c1-11-7-8-14(9-12(11)2)10-20-16-6-4-5-15(13(16)3)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeySCGBELPDNZCGRC-UHFFFAOYSA-N
XLogP3.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2,3-dimethylphenoxy)methyl]-2-methoxybenzoic acid
CID 65339710
1-[2-[(3,4-dimethylphenyl)methoxy]phenyl]propan-1-one
CID 63530895
3-(furan-3-ylmethoxy)-2-methylbenzoic acid
CID 83171984
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
3-[(3-methylphenyl)methoxy]phthalic acid
CID 66906397
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727
3-[(3,4-dimethylphenyl)methoxy]thiophene-2-carboxylic acid
CID 63336500
3-[(4-chloro-2-fluorophenyl)methoxy]-2-methylbenzoic acid
CID 114847687
3-(cyanomethoxy)-2-methylbenzoic acid
CID 82829849
3,5-dichloro-2-[(3,4-dimethylphenyl)methoxy]benzoic acid
CID 63529202
3-hexoxy-2-methylbenzoic acid
CID 82826739
3-[2-(2-methoxyethoxy)ethoxy]-2-methylbenzoic acid
CID 82827126

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid?
The IUPAC name of 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid (CID 82826882) is 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid is Cc1ccc(COc2cccc(C(=O)O)c2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid?
The InChIKey is SCGBELPDNZCGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-7-8-14(9-12(11)2)10-20-16-6-4-5-15(13(16)3)17(18)19/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid?
3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methoxy]-2-methylbenzoic acid is sourced from PubChem (CID 82826882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).